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featurizer RACS() returns arrays containing NaNs

Status: Open.

#457 In lamalab-org/mofdscribe;

· mehradans92 opened on Sep 29, 2023

Update README with paper!

Status: Open.

#455 In lamalab-org/mofdscribe;

· Andrew-S-Rosen opened on Aug 9, 2023

Example on BU

Status: Open.

#454 In lamalab-org/mofdscribe;

· LTJer opened on Jul 15, 2023

Check conda installation

Status: Open.

#453 In lamalab-org/mofdscribe;

· kjappelbaum opened on Jun 17, 2023

How do I change probe radius for sa?

Status: Open.

#451 In lamalab-org/mofdscribe;

· KP-303 opened on Apr 18, 2023

FileNotFoundError: [Errno 2] No such file or directory: 'network'

Status: Open.

#450 In lamalab-org/mofdscribe;

· KP-303 opened on Apr 18, 2023

return indices for substructure in PHImage

Status: Open.

#448 In lamalab-org/mofdscribe;

· kjappelbaum opened on Apr 12, 2023

update citation to Central Sci article

documentationImprovements or additions to documentationImprovements or additions to documentation

Status: Open.

#445 In lamalab-org/mofdscribe;

· kjappelbaum opened on Mar 22, 2023

Add open-metal-sites featurizer

featurization

Status: Open.

#438 In lamalab-org/mofdscribe;

· kjappelbaum opened on Mar 10, 2023

models to benchmark

Status: Open.

#437 In lamalab-org/mofdscribe;

· kjappelbaum opened on Feb 8, 2023

Add 2D energy histogram

Status: Open.

#436 In lamalab-org/mofdscribe;

· kjappelbaum opened on Feb 6, 2023

add xtb features

Status: Open.

#435 In lamalab-org/mofdscribe;

· kjappelbaum opened on Jan 30, 2023